Geometry & MOs

Info

ID:	34629
PubChem CID:	7978752
Reduced:	ClN3O5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-153.19
Dipole, Da:	3.5
IP(EA), eV:	-9.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-oxoquinazolin-3-yl)acetyl]adamantane-1-carbohydrazide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)Cl

DOS

IR

Vibrations